Structure Database (LMSD)

Common Name
5,8,11-heptadecatriynoic acid
Systematic Name
5,8,11-heptadecatriynoic acid
Synonyms
  • 5,8,11-Heptadecatriynoic acid
LM ID
LMFA01030479
Formula
C17H22O2
Exact Mass
Calculate m/z
258.16198
Sum Composition
FA 17:6
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]

Reactions

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Reactions graph legend

String Representations

InChiKey (Click to copy)
NZSGEQZZLDDGIV-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-5,8,11,14-16H2,1H3,(H,18,19)
SMILES (Click to copy)
C(CCCC#CCC#CCC#CCCCCC)(=O)O

Other Databases

LIPIDAT ID
4158
CHEBI ID
187199
PubChem CID
5312618

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 301.76
Topological Polar Surface Area 37.30
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 2
logP 3.61
Molar Refractivity 78.19

Admin

Created at
-
Updated at
25th Apr 2022